1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol

C19H24ClNO — CID 23322179

IUPAC1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol
SMILESCc1ccc(CCC(C)NCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H24ClNO/c1-14-6-9-16(10-7-14)11-8-15(2)21-13-19(22)17-4-3-5-18(20)12-17/h3-7,9-10,12,15,19,21-22H,8,11,13H2,1-2H3
InChIKeySEOSMLFDCARSPA-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.29
Rot. Bonds7

About 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol

1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol (PubChem CID 23322179) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol
PubChem CID23322179
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol
SMILESCc1ccc(CCC(C)NCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H24ClNO/c1-14-6-9-16(10-7-14)11-8-15(2)21-13-19(22)17-4-3-5-18(20)12-17/h3-7,9-10,12,15,19,21-22H,8,11,13H2,1-2H3
InChIKeySEOSMLFDCARSPA-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]butyl]benzoate;hydrochloride
CID 44522674
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
1-(3-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)butan-2-ylamino]ethanol
CID 18996354
5-[(3R)-3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]butyl]-1,3-benzodioxole-2,2-dicarboxylic acid
CID 67741515
1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
CID 14368686
1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 60981253
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propylamino]phenyl]-N-(4-methylphenyl)sulfonylacetamide
CID 85116791

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol (CID 23322179) is 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol is Cc1ccc(CCC(C)NCC(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol?
The InChIKey is SEOSMLFDCARSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-14-6-9-16(10-7-14)11-8-15(2)21-13-19(22)17-4-3-5-18(20)12-17/h3-7,9-10,12,15,19,21-22H,8,11,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol has a molecular weight of 317.86 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol is sourced from PubChem (CID 23322179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).